N-(butylcarbamoyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-(butylcarbamoyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)NC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

InChI

InChI=1S/C18H20N6O3S/c1-2-3-9-19-17(27)21-14(25)11-28-18-22-15-13(16(26)23-18)10-20-24(15)12-7-5-4-6-8-12/h4-8,10,20H,2-3,9,11H2,1H3,(H2,19,21,25,27)